Atom data. More...

#include <initAtoms.h>

Data Fields
int	nLocal
	total number of atoms on this processor More...

int	nGlobal
	total number of atoms in simulation More...

int *	gid
	A globally unique id for each atom. More...

int *	iSpecies
	the species index of the atom More...

real3 *	r
	positions More...

real3 *	p
	momenta of atoms More...

real3 *	f
	forces More...

real_t *	U
	potential energy per atom More...

Detailed Description

Atom data.

Definition at line 13 of file initAtoms.h.

Field Documentation

real3* AtomsSt::f

forces

Definition at line 24 of file initAtoms.h.

int* AtomsSt::gid

A globally unique id for each atom.

Definition at line 19 of file initAtoms.h.

int* AtomsSt::iSpecies

the species index of the atom

Definition at line 20 of file initAtoms.h.

int AtomsSt::nGlobal

total number of atoms in simulation

Definition at line 17 of file initAtoms.h.

int AtomsSt::nLocal

total number of atoms on this processor

Definition at line 16 of file initAtoms.h.

real3* AtomsSt::p

momenta of atoms

Definition at line 23 of file initAtoms.h.

real3* AtomsSt::r

positions

Definition at line 22 of file initAtoms.h.

real_t* AtomsSt::U

potential energy per atom

Definition at line 25 of file initAtoms.h.

The documentation for this struct was generated from the following file: